Geometry & MOs

Info

ID:	268065
PubChem CID:	103597618
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	2.32
IP(EA), eV:	-8.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations